(S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol

C22H26O4 — CID 11681901

IUPAC(S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol
SMILESCCO[C@@H]1C=C[C@H]([C@H](O)c2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C22H26O4/c1-2-25-21-14-13-19(22(23)18-11-7-4-8-12-18)20(26-21)16-24-15-17-9-5-3-6-10-17/h3-14,19-23H,2,15-16H2,1H3/t19-,20+,21-,22+/m0/s1
InChIKeyWOQHDSZRLCSVFV-LNRXMEIDSA-N
MW354.45 g/mol
LogP3.87
Rot. Bonds8

About (S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol

(S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol (PubChem CID 11681901) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is (S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol
PubChem CID11681901
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name(S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol
SMILESCCO[C@@H]1C=C[C@H]([C@H](O)c2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C22H26O4/c1-2-25-21-14-13-19(22(23)18-11-7-4-8-12-18)20(26-21)16-24-15-17-9-5-3-6-10-17/h3-14,19-23H,2,15-16H2,1H3/t19-,20+,21-,22+/m0/s1
InChIKeyWOQHDSZRLCSVFV-LNRXMEIDSA-N
XLogP3.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(S)-phenyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 10908343
(2R,3S,6S)-6-hexoxy-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 53255077
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine
CID 102159727
(2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 66554793
(2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 53253826
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol
CID 102281687
(2R,3S,6R)-2-(phenylmethoxymethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-3,6-dihydro-2H-pyran-3-ol
CID 101357896
(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 71475919

Frequently Asked Questions

What is the IUPAC name of (S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol?
The IUPAC name of (S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol (CID 11681901) is (S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol.
What is the SMILES notation for (S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol?
The canonical SMILES for (S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol is CCO[C@@H]1C=C[C@H]([C@H](O)c2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol?
The InChIKey is WOQHDSZRLCSVFV-LNRXMEIDSA-N. The full InChI is InChI=1S/C22H26O4/c1-2-25-21-14-13-19(22(23)18-11-7-4-8-12-18)20(26-21)16-24-15-17-9-5-3-6-10-17/h3-14,19-23H,2,15-16H2,1H3/t19-,20+,21-,22+/m0/s1.
What are the key properties of (S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol?
(S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol has a molecular weight of 354.45 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol is sourced from PubChem (CID 11681901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).